N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide

C21H29NO3 — CID 7302966

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO3/c1-13(21-10-14-7-15(11-21)9-16(8-14)12-21)22-20(23)19-17(24-2)5-4-6-18(19)25-3/h4-6,13-16H,7-12H2,1-3H3,(H,22,23)/t13-,14?,15?,16?,21?/m1/s1
InChIKeySJUYBWGSELBEPH-BUBBNXEVSA-N
MW343.47 g/mol
LogP4.04
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide

N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide (PubChem CID 7302966) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
PubChem CID7302966
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO3/c1-13(21-10-14-7-15(11-21)9-16(8-14)12-21)22-20(23)19-17(24-2)5-4-6-18(19)25-3/h4-6,13-16H,7-12H2,1-3H3,(H,22,23)/t13-,14?,15?,16?,21?/m1/s1
InChIKeySJUYBWGSELBEPH-BUBBNXEVSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea
CID 108866526
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324
methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate
CID 75363372
(E)-N-[(1R)-1-(1-adamantyl)ethyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7929699
(E)-N-[(1S)-1-(1-adamantyl)ethyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7929697
N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
CID 2834608
N-[1-(1-adamantyl)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55738276
N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646
1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 108875476
N-[1-(1-adamantyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108509159
N-[(1R)-1-(1-adamantyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51544551
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 8000690

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide (CID 7302966) is N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide?
The InChIKey is SJUYBWGSELBEPH-BUBBNXEVSA-N. The full InChI is InChI=1S/C21H29NO3/c1-13(21-10-14-7-15(11-21)9-16(8-14)12-21)22-20(23)19-17(24-2)5-4-6-18(19)25-3/h4-6,13-16H,7-12H2,1-3H3,(H,22,23)/t13-,14?,15?,16?,21?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide?
N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide has a molecular weight of 343.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 7302966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).